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Molecule
2-(4-Methylpiperazin-1-Yl)Ethylamine
CAS: 934-98-5 · C7H17N3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 934-98-5
- Molecular Formula
- C7H17N3
- Molecular Mass
- 143.23 g/mol
Identifiers
CAS Registry Number
934-98-5
SMILES
CN1CCN(CCN)CC1
InChI Key
GOWUDHPKGOIDIX-UHFFFAOYSA-N
InChI
InChI=1S/C7H17N3/c1-9-4-6-10(3-2-8)7-5-9/h2-8H2,1H3
Names and Synonyms
- 2-(4-Methylpiperazin-1-Yl)Ethylamine Synonym
- 1-Piperazineethanamine, 4-methyl- Synonym
- Piperazine, 1-(2-aminoethyl)-4-methyl- Synonym
- 4-Methyl-1-piperazineethanamine Synonym
- 1-(2-Aminoethyl)-4-methylpiperazine Synonym
- 1-Methyl-4-(2-aminoethyl)piperazine Synonym
- 2-(4-Methylpiperazin-1-yl)ethylamine Synonym
- 2-(4-Methyl-1-piperazinyl)ethanamine Synonym
- 2-(4-Methylpiperazino)ethanamine Synonym
- 4-(2-Aminoethyl)-1-methylpiperazine Synonym
- 2-(4-Methylpiperazin-1-yl)ethan-1-amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 143.23 g/mol | CAS Common Chemistry |
| 143.23399999999998 g/mol | RDKit | |
| 143.234 g/mol | RDKit | |
| Canonical SMILES | NCCN1CCN(C)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H17N3/c1-9-4-6-10(3-2-8)7-5-9/h2-8H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GOWUDHPKGOIDIX-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-(4-Methylpiperazin-1-yl)ethylamine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 32.5 Ų | RDKit |
| 32.04 Ų | chempirical lib | |
| LogP | -0.8074999999999981 | RDKit |
| -0.8075 | RDKit | |
| Molar Refractivity | 42.991400000000006 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 143.14224754399999 g/mol | RDKit |
| Boiling Point | 81-83 °C @ 11 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 143.23 g/mol. Edit any field — others recompute live.
